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4-chloro-5-fluoronicotinaldehyde is a chemical compound characterized by its molecular formula C6H3ClFNO. It presents as a yellowish-brown solid and is recognized for its role in the synthesis of pharmaceutical and agrochemical compounds. 4-chloro-5-fluoronicotinaldehyde is notable for its capacity to inhibit certain enzymatic activities, which has spurred interest in its potential for new drug development. However, due to its potential hazards to human health and the environment, careful handling is advised.

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  • 1060802-34-7 Structure
  • Basic information

    1. Product Name: 4-chloro-5-fluoronicotinaldehyde
    2. Synonyms: 4-chloro-5-fluoronicotinaldehyde;4-chloro-5-fluoropyridine-3-carbaldehyde
    3. CAS NO:1060802-34-7
    4. Molecular Formula: C6H3ClFNO
    5. Molecular Weight: 159.5455232
    6. EINECS: -0
    7. Product Categories: N/A
    8. Mol File: 1060802-34-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 215.7±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.444±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: N/A
    9. PKA: 0.63±0.10(Predicted)
    10. CAS DataBase Reference: 4-chloro-5-fluoronicotinaldehyde(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-chloro-5-fluoronicotinaldehyde(1060802-34-7)
    12. EPA Substance Registry System: 4-chloro-5-fluoronicotinaldehyde(1060802-34-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1060802-34-7(Hazardous Substances Data)

1060802-34-7 Usage

Uses

Used in Pharmaceutical Industry:
4-chloro-5-fluoronicotinaldehyde is used as a key intermediate in the synthesis of various pharmaceutical compounds for its ability to inhibit specific enzymes. This property makes it a valuable component in the development of new drugs that target these enzymes, potentially leading to treatments for a range of diseases.
Used in Agrochemical Industry:
In the agrochemical sector, 4-chloro-5-fluoronicotinaldehyde is utilized as a precursor in the production of compounds that can control or manage pests and diseases in agriculture. Its enzyme-inhibiting characteristics can be harnessed to create effective agrochemicals that protect crops and enhance agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 1060802-34-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,6,0,8,0 and 2 respectively; the second part has 2 digits, 3 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1060802-34:
(9*1)+(8*0)+(7*6)+(6*0)+(5*8)+(4*0)+(3*2)+(2*3)+(1*4)=107
107 % 10 = 7
So 1060802-34-7 is a valid CAS Registry Number.

1060802-34-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chloro-5-fluoronicotinaldehyde

1.2 Other means of identification

Product number -
Other names 4-chloro-5-fluoropyridine-3-carbaldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1060802-34-7 SDS

1060802-34-7Relevant articles and documents

Regioselective amidomethylation of 4-chloro-3-fluoropyridine by metalation and minisci-type reactions

Papaioannou, Nikolaos,Fray, M. Jonathan,Rennhack, Andreas,Sanderson, Thomas J.,Stokes, Jamie E.

, p. 12067 - 12079 (2020)

The synthesis of a series of 2-amidomethylated pyridines (3-8) was investigated, starting from 4-chloro-3- fluoropyridine. Kinetic deprotonation at -75 °C followed by reaction with DMF gave 2-formyl-4-chloro-3-fluoropyridine 10 regioselectively, which was converted to 2-aminomethyl analogue 1 via sulfinamide 2. Alternatively, Minisci-type amidomethylation under Ag+/persulfate or photoredox-mediated conditions using a series of amino acid derivatives gave (3-8, 19, and 34) in 30-74% yield and isomer ratios in the range 6.7:1 to >50:1. The latter methods gave overall yields similar to that of the deprotonation approach, but were shorter and more amenable to scale-up. In particular, N-Boc analogue 8 was obtained in a single step. The amidomethylations of another six 3-fluoropyridines under the photoredox conditions were briefly examined.

N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65

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Page/Page column 218, (2021/12/12)

One aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or solvate thereof, (I) wherein: ring A is a 5 or 6 membered aromatic or heteroaromatic ring, wherein said aromatic or heteroaromatic ring is optionally substituted with one or more substituents selected from F, Cl, Br, I, CN, alkoxy, NR11R11',OH, alkyl, haloalkyl, aralkyl, aryl, and heteroaryl, and wherein said aryl and heteroaryl substituents are in turn optionally substituted with one or more substituents each independently selected from F, Cl, Br, I, CN, alkoxy, NR11R11' OH, alkyl, haloalkyl, and aralkyl; Y is selected from C=N-OH and CR10R10' wherein R10 and R10' are each independently selected from H, F, alkyl, and haloalkyl; R1, R4, and R5 are each independently selected from H, F, Cl, Br, and I; R2 and R3 are each independently selected from H, F, Cl, Br, I, CN, methoxy, and haloalkyl; and R11 and R11' are each independently selected from H, alkyl, haloalkyl, COR12, and SO2R13, wherein R12 and R13 are both alkyl; for use as a medicament. Further aspects of the invention relate to compounds of formula (I) for use in the field of immuno-oncology, immunology, and related applications, and compounds of formula (I) per se.

KINASE INHIBITORS AND USES THEREOF

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Paragraph 0256; 0271, (2018/12/13)

The present disclosure relates generally to compounds and compositions, intermediates, processes for their preparation, and their use as kinase inhibitors.

INHIBITORS OF BRUTON'S TYROSINE KINASE

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Page/Page column 91, (2018/06/06)

The present invention relates to a new compound of formula I: or pharmaceutically acceptable salt, solvate or stereoisomer thereof, wherein: V1 is C or N, V2 is C(R2) or N, whereby if V1 is C then V2 is N, if V1 is C then V2 is C(R2), or if V1 is N then V2 is C(R2); each n, k is independently 0, 1; each R2, R11 is independently H, D, Hal, CN, NR'R", C(O)NR'R", C1-C6 alkoxy; R3 is H, D, hydroxy, C(O)C1-C6 alkyl, C(O)C2-C6 alkenyl, C(O)C2-C6 alkynyl, C1-C6 alkyl; R4 is H, Hal, CN, CONR'R", hydroxy, C1-C6 alkyl, C1-C6 alkoxy; L is CH2, NH, O or chemical bond; R1 is selected from the group of the fragments, comprising: Fragment 1, Fragment 2, Fragment 3 each A1, A2, A3, A4 is independently CH, N, CHal; each A5, A6, A7, A8, A9 is independently C, CH or N; R5 is H, CN, Hal, CONR'R", C1-C6 alkyl, non-substituted or substituted by one or more halogens; each R' and R" is independently selected from the group, comprising H, C1-C6 alkyl, C1-C6 cycloalkyl, aryl; R6 is selected from the group: [formula II] each R7, R8, R9, R10 is independently vinyl, methylacetylenyl; Hal is CI, Br, I, F, which have properties of inhibitor of Bruton's tyrosine kinase (Btk), to pharmaceutical compositions containing such compounds, and their use as pharmaceuticals for treatment of diseases and disorder.

PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA

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Page/Page column 70, (2017/12/28)

Provided herein is a compound of formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, codrug, cocrystal, tautomer, racemate, enantiomer,or diastereomer or mixture thereof, which is useful in treating, ameliorating or preventing influenza.

BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA

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Page/Page column 73, (2017/12/27)

The present invention relates to a compound having the formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, codrug, cocrystal, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which is useful in treating, ameloriating or preventing influenza.

PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF

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Page/Page column 189, (2017/12/28)

Provided herein is a compound of formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, prodrug, codrug, cocrystal, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, which is useful in treating, ameliorating or preventing influenza.

COMPOUNDS AND METHODS FOR MODULATING BRUTON'S TYROSINE KINASE

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Paragraph 0994; 0995, (2017/09/28)

Provided herein, inter alia, are compounds and methods for modulating Bruton's Tyrosine Kinase.

HETEROCYCLIC COMPOUND

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Paragraph 0564; 0993; 0994, (2017/04/11)

The present invention provides a heterocyclic compound having a CDK8 and/or CDK19 inhibitory effect. The present invention provides a compound represented by formula (I) (in the formula, the symbols are as defined in the description) or a salt thereof.

Heterocyclic compound

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Paragraph 0345, (2017/09/28)

本發明提供一種具有CDK8/19抑制活性之雜環化合物。本發明提供一種如下式代表之化合物(其中各代號均如本文之定義)或其鹽。 The present invention provides a heterocyclic compound possessing CDK8/19 inhibitory activity. The present invention provides a compound represented by the formula wherein each symbol is as defined herein, or a salt thereof.

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